5-(5-{3-fluorophenyl}-[1,3,4]oxadiazole-2-yl)-pyrimidine | 1022091-55-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-(5-{3-fluorophenyl}-[1,3,4]oxadiazole-2-yl)-pyrimidine
• 英文别名: 2-(3-fluorophenyl)-5-pyrimidin-5-yl-1,3,4-oxadiazole
• CAS: 1022091-55-9
• 化学式: C₁₂H₇FN₄O
• 分子量: 242.212
• InChiKey: NMRPMMZTYJMFSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  64.7
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS
  申请人：Dahl Bjarne H.

  公开号：US20100029685A1

  公开（公告）日：2010-02-04

  This invention relates to oxadiazolyl and thiadiazolyl derivatives, which are found to be modulators of the nicotinic acetylcholine receptors. Due to their pharmacological profile the compounds of the invention may be useful for the treatment of diseases or disorders as diverse as those related to the cholinergic system of the central nervous system (CNS), the peripheral nervous system (PNS), diseases or disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neuro-degeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse of chemical substances.

  本发明涉及氧代噻二唑基和硫代噻二唑基衍生物，发现它们是乙酰胆碱受体的调节剂。由于它们的药理特性，本发明的化合物可能对与中枢神经系统（CNS）和外周神经系统（PNS）的胆碱能系统相关的疾病或障碍，与平滑肌收缩相关的疾病或障碍，内分泌疾病或障碍，神经退行性疾病或障碍，炎症、疼痛以及由于滥用化学物质终止而引起的戒断症状的治疗可能有用。